2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole

C9H6Br2N2O2 — CID 114771100

IUPAC2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(Br)o2)cc1Br
InChIInChI=1S/C9H6Br2N2O2/c1-14-7-3-2-5(4-6(7)10)8-12-13-9(11)15-8/h2-4H,1H3
InChIKeyBUVAXIITFUOLSN-UHFFFAOYSA-N
MW333.97 g/mol
LogP3.27
Rot. Bonds2

About 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole

2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 114771100) has the molecular formula C9H6Br2N2O2 and a molecular weight of 333.97 g/mol. Its IUPAC name is 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID114771100
Molecular FormulaC9H6Br2N2O2
Molecular Weight333.97 g/mol
Exact Mass331.88
IUPAC Name2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(Br)o2)cc1Br
InChIInChI=1S/C9H6Br2N2O2/c1-14-7-3-2-5(4-6(7)10)8-12-13-9(11)15-8/h2-4H,1H3
InChIKeyBUVAXIITFUOLSN-UHFFFAOYSA-N
XLogP3.27
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.97
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
CID 166198597
methyl 5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619105
2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489418
2-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163085
N-[[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137567
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide
CID 166198613
5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 61033704
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 54910238
2-(4-bromo-3-methoxyphenyl)-5-(difluoromethyl)-1,3,4-oxadiazole
CID 170557754

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole (CID 114771100) is 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(Br)o2)cc1Br.
What is the InChIKey of 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is BUVAXIITFUOLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O2/c1-14-7-3-2-5(4-6(7)10)8-12-13-9(11)15-8/h2-4H,1H3.
What are the key properties of 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole?
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 333.97 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).